2,2,4,6,7-pentamethyl-3H-1-benzofuran-5-ol

C13H18O2 — CID 10013216

IUPAC2,2,4,6,7-pentamethyl-3H-1-benzofuran-5-ol
SMILESCc1c(C)c2c(c(C)c1O)CC(C)(C)O2
InChIInChI=1S/C13H18O2/c1-7-8(2)12-10(9(3)11(7)14)6-13(4,5)15-12/h14H,6H2,1-5H3
InChIKeyWOQBRTRMLPJSGR-UHFFFAOYSA-N
MW206.28 g/mol
LogP3.03
Rot. Bonds

About 2,2,4,6,7-pentamethyl-3H-1-benzofuran-5-ol

2,2,4,6,7-pentamethyl-3H-1-benzofuran-5-ol (PubChem CID 10013216) has the molecular formula C13H18O2 and a molecular weight of 206.28 g/mol. Its IUPAC name is 2,2,4,6,7-pentamethyl-3H-1-benzofuran-5-ol.

Molecular Properties

Compound Name2,2,4,6,7-pentamethyl-3H-1-benzofuran-5-ol
PubChem CID10013216
Molecular FormulaC13H18O2
Molecular Weight206.28 g/mol
Exact Mass206.13
IUPAC Name2,2,4,6,7-pentamethyl-3H-1-benzofuran-5-ol
SMILESCc1c(C)c2c(c(C)c1O)CC(C)(C)O2
InChIInChI=1S/C13H18O2/c1-7-8(2)12-10(9(3)11(7)14)6-13(4,5)15-12/h14H,6H2,1-5H3
InChIKeyWOQBRTRMLPJSGR-UHFFFAOYSA-N
XLogP3.03
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.28
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2,2,4,6,7-pentamethyl-3H-1-benzofuran-5-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2,2,4,6,7-pentamethyl-3H-1-benzofuran-5-ol?
The IUPAC name of 2,2,4,6,7-pentamethyl-3H-1-benzofuran-5-ol (CID 10013216) is 2,2,4,6,7-pentamethyl-3H-1-benzofuran-5-ol.
What is the SMILES notation for 2,2,4,6,7-pentamethyl-3H-1-benzofuran-5-ol?
The canonical SMILES for 2,2,4,6,7-pentamethyl-3H-1-benzofuran-5-ol is Cc1c(C)c2c(c(C)c1O)CC(C)(C)O2.
What is the InChIKey of 2,2,4,6,7-pentamethyl-3H-1-benzofuran-5-ol?
The InChIKey is WOQBRTRMLPJSGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O2/c1-7-8(2)12-10(9(3)11(7)14)6-13(4,5)15-12/h14H,6H2,1-5H3.
What are the key properties of 2,2,4,6,7-pentamethyl-3H-1-benzofuran-5-ol?
2,2,4,6,7-pentamethyl-3H-1-benzofuran-5-ol has a molecular weight of 206.28 g/mol, XLogP of 3.03, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,4,6,7-pentamethyl-3H-1-benzofuran-5-ol is sourced from PubChem (CID 10013216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).